SCHEMBL3714129

SCHEMBL3714129

COC(=O)c1nccc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
F2 P00734 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CFTR P13569 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
DAPK3 O43293 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10829516 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HTTTP53
SCHEMBL165741 0.79 KDM4E (0.41) ROCK1ALDH1A1KDM4EGLAGAA
SCHEMBL7077382 0.79 KMT2A (0.43) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL2553875 0.79 KDM4E (0.42) ROCK1ALDH1A1KDM4EGLAGAA
SCHEMBL16421042 0.79 SORD (0.44) ALDH1A1KDM4EHSD17B10TP53MAPK1
SCHEMBL23795448 0.78 ATR (0.42) ROCK1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL351032 0.78 KDM4E (0.40) ROCK1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL31344571 0.78 ALDH1A1 (0.47) ROCK1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL2762628 0.78 KDM4E (0.40) ROCK1ALDH1A1KDM4EGAAKDM6B
SCHEMBL19222562 0.76 ROCK1 (0.43) ROCK1ALDH1A1KDM4EKDM6BKDM5C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250213555-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-07-03 US disclosed
US-12281057-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-22 US disclosed
CN-119233755-A Low drift aqueous liquid formulations for low, medium and high spray applications 拜耳公司 2024-12-31 CN disclosed
EP-3651752-B1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-11-20 EP disclosed
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US disclosed
EP-4347583-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
CN-112638893-B Substituted thiophenecarboxamides and analogues as antibacterial agents 拜耳公司 2024-03-29 CN disclosed
CN-117794918-A Substituted tetrahydrofuran analogues as sodium channel modulators 沃泰克斯药物股份有限公司 2024-03-29 CN disclosed
CN-112638894-B Substituted thiophenecarboxamides and analogues as antibacterial agents 拜耳公司 2024-03-29 CN disclosed
CN-112601744-B Substituted thiophenecarboxamides and analogues as antibacterial agents 拜耳公司 2024-03-29 CN disclosed
US-20110312959-A1 Derivatives of Azaindoles as Inhibitors of Protein Kinases ABL and SRC ORIBASE PHARMA (FR) 2011-12-22 US disclosed
EP-2396325-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC OriBase Pharma (FR) 2011-12-21 EP disclosed
WO-2010092489-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC NOVA DECISION (FR) 2010-08-19 WO disclosed
WO-2010092489-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC NOVA DECISION (FR) 2010-08-19 WO disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
CN-1374960-A novel integrin receptor antagonists BASF AG (DE) 2002-10-16 CN disclosed
CN-1355811-A Integrain receptor antagaonists BASF AG (DE) 2002-06-26 CN disclosed
US-4596869-A Pyridinyl and pyrimidinyl derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-06-24 US disclosed
US-4395411-A ANTIBIOTICS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-26 US disclosed
US-4267176-A Amino or acylamino-substituted pyrimidinyl cephalosporanic acid derivatives and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A ROCK1 3624/4885ALDH1A1 834/4885KDM4E 2803/4885
US-20250213555-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN1A, TRPA1 ROCK1 4249/4885ALDH1A1 760/4885KDM4E 3277/4885
US-20110312959-A1 Derivatives of Azaindoles as Inhibitors of Protein Kinases ABL and SRC ABL1, ABL2, SRC ROCK1 432/4885ALDH1A1 1770/4885KDM4E 2066/4885
US-12281057-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A ROCK1 4348/4885ALDH1A1 2665/4885KDM4E 1582/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.